(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol

C26H26N6O2 — CID 153240462

IUPAC(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)CC=C4)cn3ccnc23)ccc1N1CCC[C@H](O)C1
InChIInChI=1S/C26H26N6O2/c1-34-24-13-19(7-8-23(24)31-10-3-5-20(33)15-31)29-25-26-27-9-11-32(26)16-22(30-25)18-12-17-4-2-6-21(17)28-14-18/h2,6-9,11-14,16,20,33H,3-5,10,15H2,1H3,(H,29,30)/t20-/m0/s1
InChIKeyWRIPPOLHEJQMAI-FQEVSTJZSA-N
MW454.53 g/mol
LogP4.07
Rot. Bonds5

About (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol

(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol (PubChem CID 153240462) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
PubChem CID153240462
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)CC=C4)cn3ccnc23)ccc1N1CCC[C@H](O)C1
InChIInChI=1S/C26H26N6O2/c1-34-24-13-19(7-8-23(24)31-10-3-5-20(33)15-31)29-25-26-27-9-11-32(26)16-22(30-25)18-12-17-4-2-6-21(17)28-14-18/h2,6-9,11-14,16,20,33H,3-5,10,15H2,1H3,(H,29,30)/t20-/m0/s1
InChIKeyWRIPPOLHEJQMAI-FQEVSTJZSA-N
XLogP4.07
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol with MolForge

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Related Compounds

(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473271
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473382
1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 147069990
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 147088426
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 148686575
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 162098947
[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 158934113
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 161016814
(3R)-1-[4-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473455
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 90028354

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol (CID 153240462) is (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol is COc1cc(Nc2nc(-c3cnc4c(c3)CC=C4)cn3ccnc23)ccc1N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol?
The InChIKey is WRIPPOLHEJQMAI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-34-24-13-19(7-8-23(24)31-10-3-5-20(33)15-31)29-25-26-27-9-11-32(26)16-22(30-25)18-12-17-4-2-6-21(17)28-14-18/h2,6-9,11-14,16,20,33H,3-5,10,15H2,1H3,(H,29,30)/t20-/m0/s1.
What are the key properties of (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol?
(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol has a molecular weight of 454.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol is sourced from PubChem (CID 153240462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).